(1-Isothiocyanatoethyl)benzene
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(1-Isothiocyanatoethyl)benzene
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CAS No:
4478-92-6
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Formula:
C9H9NS
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Chemical Name:
(1-Isothiocyanatoethyl)benzene
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Synonyms:
Benzene,(1-isothiocyanatoethyl)-;Isothiocyanic acid,α-methylbenzyl ester;(1-Isothiocyanatoethyl)benzene;1-Phenylethyl isothiocyanate;α-Methylbenzylisothiocyanate;NSC 221236;32393-32-1
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CAS No:
Safety Information
III
UN 2810
R20/21/22;R36/37/38
S26-S36/37/39
P264, P280, P305+P351+P338, P33, P313
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:163.24
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.04557046
Monoisotopic Mass:163.04557046
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:155
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes